Crystallography Open Database

Information card for entry 7107292

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Coordinates	7107292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H2 Cu O5
Calculated formula	C6 H2 Cu O5
Title of publication	The effect of pressure on Cu-btc: framework compression vs. guest inclusion
Authors of publication	Alexander J. Graham; Jin-Chong Tan; David R. Allan; Stephen A. Moggach
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	1535
a	26.1823 ± 0.0018 Å
b	26.1823 ± 0.0018 Å
c	26.1823 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	17948 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for all reflections	0.1061
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.1188
Diffraction radiation wavelength	0.4859 Å
Diffraction radiation type	?
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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